N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide

C17H20FN3OS — CID 3311904

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)Cc1ccc(F)cc1)CSC2
InChIInChI=1S/C17H20FN3OS/c1-17(2,3)21-16(13-9-23-10-14(13)20-21)19-15(22)8-11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3,(H,19,22)
InChIKeyIUHLLPDTKUKMRU-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.71
Rot. Bonds3

About N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 3311904) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide
PubChem CID3311904
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)Cc1ccc(F)cc1)CSC2
InChIInChI=1S/C17H20FN3OS/c1-17(2,3)21-16(13-9-23-10-14(13)20-21)19-15(22)8-11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3,(H,19,22)
InChIKeyIUHLLPDTKUKMRU-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide (CID 3311904) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide is CC(C)(C)n1nc2c(c1NC(=O)Cc1ccc(F)cc1)CSC2.
What is the InChIKey of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is IUHLLPDTKUKMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-17(2,3)21-16(13-9-23-10-14(13)20-21)19-15(22)8-11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3,(H,19,22).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3311904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).